N-butan-2-yl-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridine-2-carboxamide

C17H25N3O3 — CID 109203286

IUPACN-butan-2-yl-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridine-2-carboxamide
SMILESCCC(C)NC(=O)c1cc(N2CCC3(CC2)OCCO3)ccn1
InChIInChI=1S/C17H25N3O3/c1-3-13(2)19-16(21)15-12-14(4-7-18-15)20-8-5-17(6-9-20)22-10-11-23-17/h4,7,12-13H,3,5-6,8-11H2,1-2H3,(H,19,21)
InChIKeyIOILTSRAXPGWCF-UHFFFAOYSA-N
MW319.41 g/mol
LogP1.95
Rot. Bonds4

About N-butan-2-yl-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridine-2-carboxamide

N-butan-2-yl-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridine-2-carboxamide (PubChem CID 109203286) has the molecular formula C17H25N3O3 and a molecular weight of 319.41 g/mol. Its IUPAC name is N-butan-2-yl-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridine-2-carboxamide
PubChem CID109203286
Molecular FormulaC17H25N3O3
Molecular Weight319.41 g/mol
Exact Mass319.19
IUPAC NameN-butan-2-yl-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridine-2-carboxamide
SMILESCCC(C)NC(=O)c1cc(N2CCC3(CC2)OCCO3)ccn1
InChIInChI=1S/C17H25N3O3/c1-3-13(2)19-16(21)15-12-14(4-7-18-15)20-8-5-17(6-9-20)22-10-11-23-17/h4,7,12-13H,3,5-6,8-11H2,1-2H3,(H,19,21)
InChIKeyIOILTSRAXPGWCF-UHFFFAOYSA-N
XLogP1.95
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-butan-2-yl-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2-propan-2-ylphenyl)pyridine-2-carboxamide
CID 109215694
4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(3-methoxypropyl)pyridine-2-carboxamide
CID 109206070
N-[3-(dimethylamino)propyl]-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridine-2-carboxamide
CID 109207757
N-(3,4-dimethylphenyl)-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridine-2-carboxamide
CID 109215686
4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
CID 109206773
4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(furan-2-ylmethyl)pyridine-2-carboxamide
CID 109209310
4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
CID 109212686
N-butan-2-yl-4-(3-methylpiperidin-1-yl)pyridine-2-carboxamide
CID 109203312
N-(2-tert-butylphenyl)-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridine-2-carboxamide
CID 109215699
4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(3-fluorophenyl)pyridine-2-carboxamide
CID 109215730
N-(1,3-benzodioxol-5-yl)-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridine-2-carboxamide
CID 109215731
N-(2,4-dimethoxyphenyl)-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridine-2-carboxamide
CID 109215720

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridine-2-carboxamide?
The IUPAC name of N-butan-2-yl-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridine-2-carboxamide (CID 109203286) is N-butan-2-yl-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridine-2-carboxamide.
What is the SMILES notation for N-butan-2-yl-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridine-2-carboxamide?
The canonical SMILES for N-butan-2-yl-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridine-2-carboxamide is CCC(C)NC(=O)c1cc(N2CCC3(CC2)OCCO3)ccn1.
What is the InChIKey of N-butan-2-yl-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridine-2-carboxamide?
The InChIKey is IOILTSRAXPGWCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3/c1-3-13(2)19-16(21)15-12-14(4-7-18-15)20-8-5-17(6-9-20)22-10-11-23-17/h4,7,12-13H,3,5-6,8-11H2,1-2H3,(H,19,21).
What are the key properties of N-butan-2-yl-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridine-2-carboxamide?
N-butan-2-yl-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridine-2-carboxamide has a molecular weight of 319.41 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridine-2-carboxamide is sourced from PubChem (CID 109203286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).